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SUMMARYThis paper presents a computational study of an energy-efficient technique for post-combustion CO 2 capture using novel material, namely, Mg-MOF-74, using pressure swing adsorption (PSA) processes. A detailed one-dimensional, transient mathematical model has been formulated to include the heat and mass transfer, the pressure drop and multicomponent mass diffusion. The PSA model has been further extended by incorporating a heat regenerating process to enhance CO 2 sequestration. The heat dissipated during adsorption is stored in packed sand bed and released during desorption step for heating purpose. The model has been implemented on a MATLAB program using second-order discretization. Validation of the model was performed using a complete experimental data set for CO 2 sequestration using zeolite 13X. Simulation of the PSA experiment on fixed bed has been carried out to evaluate the capacity of Mg-MOF-74 for CO 2 capture with varying feed gas temperature of 28 and 100°C, varying pressurization and purge times and heat regeneration. It was discovered that the PSA process with heat regeneration system might be advantageous because it achieves equivalent amount of CO 2 sequestration in fewer PSA cycles compared with PSA without heat regeneration system. Based on the simulated conditions, CO 2 recovery with Mg-MOF-74 gives high percentage purity (above 98%) for the captured CO 2 .

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